Gas-Phase Studies of Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase (HG(X)PRT) Substrates

Lanxin Zhang; G. S.M. Kiruba; Jeehiun K. Lee

doi:10.1021/acs.joc.3c00115

Gas-Phase Studies of Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase (HG(X)PRT) Substrates

Lanxin Zhang, G. S.M. Kiruba, Jeehiun K. Lee

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The gas-phase acidity and proton affinity of nucleobases that are substrates for the enzyme Plasmodium falciparum hypoxanthine-guanine-(xanthine) phosphoribosyltransferase (Pf HG(X)PRT) have been examined using both computational and experimental methods. These thermochemical values have not heretofore been measured and provide experimental data to benchmark the theoretical results. Pf HG(X)PRT is a target of interest in the development of antimalarials. We use our gas-phase results to lend insight into the Pf HG(X)PRT mechanism, and also propose kinetic isotope studies that could potentially differentiate between possible mechanisms.

Original language	English (US)
Pages (from-to)	6816-6826
Number of pages	11
Journal	Journal of Organic Chemistry
Volume	88
Issue number	11
DOIs	https://doi.org/10.1021/acs.joc.3c00115
State	Published - Jun 2 2023
Externally published	Yes

All Science Journal Classification (ASJC) codes

Organic Chemistry

Access to Document

10.1021/acs.joc.3c00115

Cite this

@article{5b8cf4dee58d42bd928dda8aa7c15a35,

title = "Gas-Phase Studies of Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase (HG(X)PRT) Substrates",

abstract = "The gas-phase acidity and proton affinity of nucleobases that are substrates for the enzyme Plasmodium falciparum hypoxanthine-guanine-(xanthine) phosphoribosyltransferase (Pf HG(X)PRT) have been examined using both computational and experimental methods. These thermochemical values have not heretofore been measured and provide experimental data to benchmark the theoretical results. Pf HG(X)PRT is a target of interest in the development of antimalarials. We use our gas-phase results to lend insight into the Pf HG(X)PRT mechanism, and also propose kinetic isotope studies that could potentially differentiate between possible mechanisms.",

author = "Lanxin Zhang and Kiruba, {G. S.M.} and Lee, {Jeehiun K.}",

year = "2023",

month = jun,

day = "2",

doi = "10.1021/acs.joc.3c00115",

language = "English (US)",

volume = "88",

pages = "6816--6826",

journal = "Journal of Organic Chemistry",

issn = "0022-3263",

publisher = "American Chemical Society",

number = "11",

}

TY - JOUR

T1 - Gas-Phase Studies of Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase (HG(X)PRT) Substrates

AU - Zhang, Lanxin

AU - Kiruba, G. S.M.

AU - Lee, Jeehiun K.

PY - 2023/6/2

Y1 - 2023/6/2

N2 - The gas-phase acidity and proton affinity of nucleobases that are substrates for the enzyme Plasmodium falciparum hypoxanthine-guanine-(xanthine) phosphoribosyltransferase (Pf HG(X)PRT) have been examined using both computational and experimental methods. These thermochemical values have not heretofore been measured and provide experimental data to benchmark the theoretical results. Pf HG(X)PRT is a target of interest in the development of antimalarials. We use our gas-phase results to lend insight into the Pf HG(X)PRT mechanism, and also propose kinetic isotope studies that could potentially differentiate between possible mechanisms.

AB - The gas-phase acidity and proton affinity of nucleobases that are substrates for the enzyme Plasmodium falciparum hypoxanthine-guanine-(xanthine) phosphoribosyltransferase (Pf HG(X)PRT) have been examined using both computational and experimental methods. These thermochemical values have not heretofore been measured and provide experimental data to benchmark the theoretical results. Pf HG(X)PRT is a target of interest in the development of antimalarials. We use our gas-phase results to lend insight into the Pf HG(X)PRT mechanism, and also propose kinetic isotope studies that could potentially differentiate between possible mechanisms.

UR - http://www.scopus.com/inward/record.url?scp=85162240610&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85162240610&partnerID=8YFLogxK

U2 - 10.1021/acs.joc.3c00115

DO - 10.1021/acs.joc.3c00115

M3 - Article

AN - SCOPUS:85162240610

SN - 0022-3263

VL - 88

SP - 6816

EP - 6826

JO - Journal of Organic Chemistry

JF - Journal of Organic Chemistry

IS - 11

ER -

Gas-Phase Studies of Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase (HG(X)PRT) Substrates

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this